UCSF

ZINC43969986

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.38 4.38 -31.34 2 5 1 48 299.435 7
Hi High (pH 8-9.5) 1.38 4.17 -3.64 1 5 0 43 298.427 7
Hi High (pH 8-9.5) 1.38 5.25 -26.56 2 5 1 44 299.435 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )